Receptor
PDB id Resolution Class Description Source Keywords
1FHX 2.5 Å NON-ENZYME: SIGNAL_HORMONE STRUCTURE OF THE PLECKSTRIN HOMOLOGY DOMAIN FROM GRP1 IN COM INOSITOL 1,3,4,5-TETRAKISPHOSPHATE MUS MUSCULUS PLECKSTRIN 3-PHOSPHOINOSITIDES INOSITOL TETRAKISPHOSPHATE TRANSDUCTION PROTEIN GUANINE NUCLEOTIDE EXCHANGE FACTOR SPROTEIN
Ref.: STRUCTURAL BASIS FOR DISCRIMINATION OF 3-PHOSPHOINO BY PLECKSTRIN HOMOLOGY DOMAINS MOL.CELL V. 6 373 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
4IP A:1001;
B:1002;
Valid;
Valid;
none;
none;
Kd = 0.027 uM
500.075 C6 H16 O18 P4 [C@H]...
SO4 B:2001;
B:2002;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1FHX 2.5 Å NON-ENZYME: SIGNAL_HORMONE STRUCTURE OF THE PLECKSTRIN HOMOLOGY DOMAIN FROM GRP1 IN COM INOSITOL 1,3,4,5-TETRAKISPHOSPHATE MUS MUSCULUS PLECKSTRIN 3-PHOSPHOINOSITIDES INOSITOL TETRAKISPHOSPHATE TRANSDUCTION PROTEIN GUANINE NUCLEOTIDE EXCHANGE FACTOR SPROTEIN
Ref.: STRUCTURAL BASIS FOR DISCRIMINATION OF 3-PHOSPHOINO BY PLECKSTRIN HOMOLOGY DOMAINS MOL.CELL V. 6 373 2000
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 1FHX Kd = 0.027 uM 4IP C6 H16 O18 P4 [C@H]1([C@....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 196 families.
1 1FHX Kd = 0.027 uM 4IP C6 H16 O18 P4 [C@H]1([C@....
2 4KAX - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 171 families.
1 1FHX Kd = 0.027 uM 4IP C6 H16 O18 P4 [C@H]1([C@....
2 4KAX - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 4IP; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 4IP 1 1
2 I3P 0.724138 0.966667
3 I3S 0.724138 0.966667
4 5MY 0.714286 0.965517
5 5IP 0.714286 0.965517
6 IP5 0.714286 0.965517
7 I5P 0.714286 0.965517
8 I4P 0.653846 0.965517
9 I0P 0.62069 0.933333
10 ITP 0.6 0.966667
11 2IP 0.571429 0.966667
12 IHP 0.538462 0.965517
13 I6P 0.538462 0.965517
14 IP2 0.533333 0.966667
15 I4D 0.516129 0.933333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1FHX; Ligand: 4IP; Similar sites found: 36
This union binding pocket(no: 1) in the query (biounit: 1fhx.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2EB5 OXL 0.01366 0.40795 None
2 4WUJ FMN 0.00599 0.42263 3.87597
3 2PTR 2SA 0.01185 0.41946 4.65116
4 5BSR AMP 0.04255 0.40586 4.65116
5 3OZV FAD 0.04608 0.40566 4.65116
6 5C5H 4YB 0.0267 0.40038 4.65116
7 5GVL PLG 0.03857 0.40639 5.42636
8 5GVL GI8 0.03857 0.40639 5.42636
9 3FIU POP 0.01877 0.40215 5.42636
10 5EOU ATP 0.01373 0.40869 6.20155
11 4DQL NAP 0.03785 0.40591 6.20155
12 4DQL FAD 0.01941 0.40591 6.20155
13 2QLU ADE 0.004937 0.43021 7.75194
14 2Q2V NAD 0.0193 0.41611 7.75194
15 5TH5 MET 0.01572 0.40185 7.75194
16 4LH7 1X8 0.01059 0.41194 8.52713
17 2OFV 242 0.03663 0.40277 8.52713
18 2RDE C2E 0.01049 0.4026 10.0775
19 1W1G 4PT 0.0000335 0.50739 11.6279
20 3SJK LYS PRO VAL LEU ARG THR ALA 0.004647 0.4327 11.6279
21 2YAK OSV 0.01367 0.419 11.6279
22 4BVA T3 0.0102 0.43569 12.4031
23 5D3X 4IP 0.0004285 0.40323 12.4031
24 4CQK PIO 0.001535 0.45309 12.766
25 2X4Z X4Z 0.03052 0.40584 13.1783
26 5HIP 61O 0.01671 0.40451 13.1783
27 1UA4 GLC 0.004775 0.41106 13.9535
28 1UA4 BGC 0.004775 0.41106 13.9535
29 3RI1 3RH 0.02213 0.40713 15.5039
30 5DEY 59T 0.0375 0.40326 16.2791
31 5C79 PBU 0.003004 0.44176 17.8295
32 4CS9 AMP 0.01394 0.40226 19.3798
33 3LJU IP9 0.0001158 0.51003 21.7054
34 5UKL SIX 0.02143 0.40652 30.2326
35 1B55 4IP 0.000154 0.46278 35.6589
36 1UNQ 4IP 0.00001194 0.55889 44
Pocket No.: 2; Query (leader) PDB : 1FHX; Ligand: 4IP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1fhx.bio3) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1FHX; Ligand: 4IP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1fhx.bio3) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1FHX; Ligand: 4IP; Similar sites found: 68
This union binding pocket(no: 4) in the query (biounit: 1fhx.bio2) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2I0D MUT 0.03376 0.43234 None
2 1CLU DBG 0.04097 0.41331 None
3 1O44 852 0.04481 0.40845 None
4 3S43 478 0.03274 0.40742 None
5 3IS2 FAD 0.02813 0.40971 1.55039
6 4EHU ANP 0.02609 0.406 2.32558
7 3Q60 ATP 0.01992 0.40185 2.32558
8 4ZCW 4NG 0.02068 0.40103 2.32558
9 4HIA FMN 0.01819 0.42687 3.40909
10 5GXU FAD 0.01594 0.42283 3.87597
11 3BOS CDP 0.007183 0.41734 3.87597
12 1JJE BYS 0.01545 0.41302 3.87597
13 1BXK NAD 0.04047 0.40246 3.87597
14 4IPH 1FJ 0.03088 0.40358 4.06504
15 2BOS GLA GAL GLC 0.006086 0.40582 4.41176
16 3OZV ECN 0.02076 0.43556 4.65116
17 3GZ8 APR 0.007472 0.43099 4.65116
18 4J1Q NDP 0.01575 0.42311 4.65116
19 1S7G APR 0.02423 0.41905 4.65116
20 1N0U SO1 0.01356 0.41415 4.65116
21 5XDT GDP 0.03514 0.40328 4.65116
22 1S9A BEZ 0.01404 0.40048 4.65116
23 3BP1 GUN 0.01589 0.4 4.65116
24 3ACL 3F1 0.01114 0.41462 4.72973
25 3QCQ 3Q0 0.03931 0.43684 5.42636
26 1LSH PLD 0.02199 0.41668 5.42636
27 4INB 1F6 0.0176 0.41012 5.42636
28 5FLJ QUE 0.02297 0.40581 5.42636
29 3IHG VAK 0.01946 0.40429 5.42636
30 5A5W GUO 0.03177 0.41855 6.20155
31 2V6G NAP 0.03017 0.41167 6.20155
32 5MR6 FAD 0.01985 0.41068 6.20155
33 4K49 HFQ 0.03627 0.40953 6.20155
34 5LUN ARG 0.03143 0.40454 6.20155
35 5LUN OGA 0.01406 0.40291 6.20155
36 4MOB COA 0.01164 0.42582 6.97674
37 3G6K POP 0.03222 0.40898 6.97674
38 3G6K FAD 0.03547 0.40898 6.97674
39 4WB6 ATP 0.02907 0.40634 6.97674
40 4G1V FAD 0.03365 0.40555 6.97674
41 5LRT ADP 0.03137 0.40322 6.97674
42 2QCS ANP 0.03385 0.40284 6.97674
43 4I8P NAD 0.04902 0.40237 6.97674
44 2RKV ZBA 0.04007 0.41018 7.75194
45 2RKV COA 0.03528 0.41018 7.75194
46 1GQG DCD 0.0279 0.40298 7.75194
47 1VRP ADP 0.01865 0.40126 7.75194
48 5UIU 8CG 0.03546 0.40788 8.52713
49 3A5Z KAA 0.01817 0.42109 9.30233
50 5UL4 SAM 0.009004 0.41714 9.30233
51 4I54 1C1 0.02341 0.41644 9.30233
52 3O0G 3O0 0.01972 0.40208 9.30233
53 5BVA FAD 0.02347 0.43019 10.0775
54 2Q2Y ADP 0.02357 0.42479 10.0775
55 3E9I XAH 0.02496 0.41373 10.8527
56 1WUR 8DG 0.02586 0.4047 10.8527
57 4USI ATP 0.02845 0.40097 10.8527
58 1BC5 ACE ASN TRP GLU THR PHE 0.0138 0.40085 10.8527
59 3RYC GTP 0.03493 0.40824 11.6279
60 5ITZ GTP 0.02933 0.40746 11.6279
61 4U0I 0LI 0.04222 0.40264 11.6279
62 2BOY BHO 0.01789 0.40002 11.6279
63 2G30 ALA ALA PHE 0.003296 0.41842 13.9535
64 5A0R ACE GLU VAL ASN PRO 0.01915 0.41728 13.9535
65 4WNK 453 0.01181 0.43104 14.7287
66 1BGV GLU 0.01085 0.40733 14.7287
67 3BY9 SIN 0.01068 0.40658 16.2791
68 3AJ4 SEP 0.0001717 0.41962 39.2857
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